SCHEMBL26829643

SCHEMBL26829643

COC(=O)CCC1(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
BACE1 P56817 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 3/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TET2 Q6N021 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31124647 0.81 CYP1A2 (0.40) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL6216863 0.72 TSHR (0.48) TSHRKMT2AMEN1LMNACA12
SCHEMBL13417837 0.71 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL15539095 0.71 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL16111259 0.71 TSHR (0.46) TSHRKMT2AMEN1LMNACA12
SCHEMBL21139132 0.69
SCHEMBL14151827 0.69 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL16111260 0.69 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL20925333 0.69 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL15550819 0.69 TSHR (0.44) TSHRKMT2AMEN1LMNACA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TSHR 2109/4885BACE1 4547/4885KMT2A 4644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.